pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.85	OCHEM	1	0	C[NH2+][C@H]1CCCC[C@@H]1Cl	CN[C@H]1CCCC[C@@H]1Cl	mol960	CN[C@H]1CCCC[C@@H]1Cl